N-[(Z)-(4-bromophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
Formula:C12H11N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide |
| MolecularFormula | C12H11N4O2Br |
| Smiles | O=C(CC(NN1)=CC1=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C12H11BrN4O2/c13-9-3-1-8(2-4-9)7-14-16-11(18)5-10-6-12(19)17-15-10/h1-4,6-7H,5H2,(H,16,18)(H2,15,17,19) |
| InChIK | CNPGOUAPSYIURL-UHFFFAOYSA-N |
| TotalMolweight | 323.149 |
| Molweight | 323.149 |
| MonoisotopicMass | 322.006537 |
| CLogP | 0.5564 |
| CLogS | -3.955 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 211.5 |
| Relative PSA | 0.34028 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 1.6161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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